Basic information
- CAS
51388-20-6- Standard SMILES
[Cl-].[NH3+]c1ccc(OCc2ccccc2)cc1- InChIKey
KQBDLOVXZHOAJI-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO
- Average molar mass
- 235.71 g/mol
- Monoisotopic mass
- 235.0763918
Overview
See also: 4-Benzyloxyaniline hydrochloride (preferred).
Names & identifiers
- Preferred name
- (4-Phenylmethoxyphenyl)azanium chloride
- IUPAC
- (4-phenylmethoxyphenyl)azanium chloride
- English name
- 4-Benzyloxyaniline hydrochloride
- Molecular formula
- C13H14ClNO
- Molecular weight
- 235.71
Names & synonyms
TIMTEC-BB SBB0007424-BENZYLOXY ANILINE HCL4-Benzyloxy Anilide HCl4-BENZYLOXYANILINIUM CHLORIDE4-BenzyloxyAnilideHydrochloride4- benzoxyaniline hydrochloride4-BENZYLOXYANILINE HYDROCHLORIDEP-BENZYLOXYANILINE HYDROCHLORIDE4-Aminodiphenyletherhydrochloride4 4-Benzyloxyaniline hydrochloride
Database identifiers
- CAS
51388-20-6- PubChem CID
- 43833332
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 228 °C · 228 °C (dec.)(lit.)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Slightly soluble in water insoluble in ether sparingly soluble in methanol
- form
- Crystalline Powder
- color
- Brownish
- BRN
- 3633307 · 3633307
- InChI
- InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H
- InChIKey
- KQBDLOVXZHOAJI-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(N)C=C1)OCC1=CC=CC=C1.Cl
- CAS DataBase Reference
- 51388 · 51388-20-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- BW7615000
- hs_code
- 29222900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-(benzyloxy)aniline hydrochloride can be used in chemical synthesis studies.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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